Early relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.

The interaction between the T cell receptor and the major histocompatibility complex is one of the most important events in adaptive immunology. Although several different models for the activation process of the T cell via the T cell receptor have been proposed, it could not be shown that a structu...

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Autores principales:	Bernhard Knapp, Georg Dorffner, Wolfgang Schreiner
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2013
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/5793ed55af204e439225e736254a4a16
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spelling	oai:doaj.org-article:5793ed55af204e439225e736254a4a162021-11-18T07:42:50ZEarly relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.1932-620310.1371/journal.pone.0064464https://doaj.org/article/5793ed55af204e439225e736254a4a162013-01-01T00:00:00Zhttps://www.ncbi.nlm.nih.gov/pmc/articles/pmid/23762240/pdf/?tool=EBIhttps://doaj.org/toc/1932-6203The interaction between the T cell receptor and the major histocompatibility complex is one of the most important events in adaptive immunology. Although several different models for the activation process of the T cell via the T cell receptor have been proposed, it could not be shown that a structural mechanism, which discriminates between peptides of different immunogenicity levels, exists within the T cell receptor. In this study, we performed systematic molecular dynamics simulations of 172 closely related altered peptide ligands in the same T cell receptor/major histocompatibility complex system. Statistical evaluations yielded significant differences in the initial relaxation process between sets of peptides at four different immunogenicity levels.Bernhard KnappGeorg DorffnerWolfgang SchreinerPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 8, Iss 6, p e64464 (2013)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Bernhard Knapp Georg Dorffner Wolfgang Schreiner Early relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.
description	The interaction between the T cell receptor and the major histocompatibility complex is one of the most important events in adaptive immunology. Although several different models for the activation process of the T cell via the T cell receptor have been proposed, it could not be shown that a structural mechanism, which discriminates between peptides of different immunogenicity levels, exists within the T cell receptor. In this study, we performed systematic molecular dynamics simulations of 172 closely related altered peptide ligands in the same T cell receptor/major histocompatibility complex system. Statistical evaluations yielded significant differences in the initial relaxation process between sets of peptides at four different immunogenicity levels.
format	article
author	Bernhard Knapp Georg Dorffner Wolfgang Schreiner
author_facet	Bernhard Knapp Georg Dorffner Wolfgang Schreiner
author_sort	Bernhard Knapp
title	Early relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.
title_short	Early relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.
title_full	Early relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.
title_fullStr	Early relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.
title_full_unstemmed	Early relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.
title_sort	early relaxation dynamics in the lc 13 t cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.
publisher	Public Library of Science (PLoS)
publishDate	2013
url	https://doaj.org/article/5793ed55af204e439225e736254a4a16
work_keys_str_mv	AT bernhardknapp earlyrelaxationdynamicsinthelc13tcellreceptorinreactionto172alteredpeptideligandsamoleculardynamicssimulationstudy AT georgdorffner earlyrelaxationdynamicsinthelc13tcellreceptorinreactionto172alteredpeptideligandsamoleculardynamicssimulationstudy AT wolfgangschreiner earlyrelaxationdynamicsinthelc13tcellreceptorinreactionto172alteredpeptideligandsamoleculardynamicssimulationstudy
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Early relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation study.

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